UCSF

ZINC42438399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 4.33 -32.11 4 6 1 81 294.423 7
Hi High (pH 8-9.5) 0.83 4.14 -7.47 3 6 0 76 293.415 7
Lo Low (pH 4.5-6) 0.83 4.47 -85.27 5 6 2 82 295.431 7

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.